2-[5-(azepan-1-ylmethyl)-2-methoxy-phenyl]ethanoic acid

Systemtic Name: 2-[5-(azepan-1-ylmethyl)-2-methoxy-phenyl]ethanoic acid Openeye Name: 2-[5-(azepan-1-ylmethyl)-2-methoxy-phenyl]acetic acid CAS Name: 2-[5-(1-azepanylmethyl)-2-methoxyphenyl]acetic acid IUPAC Name: 2-[5-(azepan-1-ylmethyl)-2-methoxyphenyl]acetic acid Traditional Name: 2-[5-(azepan-1-ylmethyl)-2-methoxy-phenyl]acetic acid Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCCCCC2)CC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCCCCC2)CC(=O)O

InChI

InChI=1S/C16H23NO3/c1-20-15-7-6-13(10-14(15)11-16(18)19)12-17-8-4-2-3-5-9-17/h6-7,10H,2-5,8-9,11-12H2,1H3,(H,18,19)